SCHEMBL10193644

SCHEMBL10193644

COc1ccc(C/C(C(=O)O)=C(/C(=O)O)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.53
HTT P42858 1/20 0.50
LDHA P00338 1/20 0.50
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
KLK7 P49862 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL304490 0.98 CTBP2 (0.51) CTBP2HTTLDHAALDH1A1POLB
SCHEMBL304492 0.98 CTBP2 (0.51) CTBP2HTTLDHAALDH1A1POLB
SCHEMBL304932 0.84 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2
SCHEMBL304933 0.84 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2
SCHEMBL4602713 0.82 CA2 (0.50) CTBP2POLBNPC1
SCHEMBL4602719 0.82 CA2 (0.50) CTBP2POLBNPC1
SCHEMBL9709228 0.82 TSHR (0.49) CTBP2POLBKDM4ENPC1CNR2
SCHEMBL9709224 0.82 TSHR (0.49) CTBP2POLBKDM4ENPC1CNR2
SCHEMBL10193606 0.82 TSHR (0.49) CTBP2POLBKDM4ENPC1CNR2
SCHEMBL10193658 0.81 LTA4H (0.44) ALDH1A1POLBKDM4ESMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 US disclosed
WO-2013015388-A1 NDM INHIBITOR Meiji Seikaファルマ株式会社 (JP) 2013-01-31 WO disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA CTBP2 4046/4885HTT 4870/4885LDHA 31/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 CTBP2 4106/4885HTT 4840/4885LDHA 432/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CTBP2 3605/4885HTT 4875/4885LDHA 30/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.